Molpro94 to 200x

[The Matt]

I have a question to ask the veterans of molpro (of which, I am not).

My group did some MRCISD potential surfaces about 8 years ago using
molpro94.  To do this, a postdoc wrote an amazingly complex input script
that generates not just the energies, but DMAs, transition DMA between
states, and other properties all in a user-specified format.  We then
use this info and generate files for use with our in-house MD program. 
So I am wondering, is it easy to translate inputs from molpro94 to 200x? 

Also, to get the properties necessary for our MD, our old postdoc had to
hack molpro94 in order to generate spin-orbit coupling and transition
DMA.  (He said molpro2000 can do multipoles, transition multipoles, and
distributed multipoles...but not transition distributed multipoles, the
core of our MD Hamiltonian.  He also said the DMA couldn't handle
"generally contracted" bases.)  I know spin-orbit is now in molpro...but
T-DMA isn't, so I'll need to hack the source code.  Is this still
allowed, if I need to add a function?

I ask these questions because currently our group uses GAMESS to do ab
initio work.  But, GAMESS has serious problems with DMA and the ECP
basis we use (I'm hoping molpro doesn't...we use an augmented SBKJC
basis, one without a SO-ECP available).  So, soon I plan to purchase
molpro200x and use it to add a molecule(s) to our MD program.

Thank you for all help, and my apologies for the long letter.

Matthew A. Thompson
-- 
"And isn't sanity really just a one-trick pony, anyway?  I mean,
all you get is one trick, rational thinking, but when you're good
and crazy, ooh ooh ooh, the sky's the limit!" -- The Tick
  The Matt -- http://ucsub.colorado.edu/~thompsma/Home.html